About 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene (PubChem CID 58246120) has the molecular formula C35H36
and a molecular weight of 456.67 g/mol. Its IUPAC name is 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene.
Molecular Properties
| Compound Name | 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene |
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| PubChem CID | 58246120 |
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| Molecular Formula | C35H36 |
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| Molecular Weight | 456.67 g/mol |
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| Exact Mass | 456.28 |
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| IUPAC Name | 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene |
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| SMILES | C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CCC(=C)c2ccccc21 |
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| InChI | InChI=1S/C35H36/c1-24-15-18-33(35-13-7-6-12-32(24)35)25(2)19-29-11-8-14-34(29)31-22-28-17-16-27(21-30(28)23-31)20-26-9-4-3-5-10-26/h6-7,11-14,16-18,21,23,26H,1-5,8-10,15,19-20,22H2 |
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| InChIKey | LYXLPRPNIHHSGV-UHFFFAOYSA-N |
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| XLogP | 9.45 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 456.67 |
| LogP ≤ 5 | 9.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The IUPAC name of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene (CID 58246120) is 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene.
What is the SMILES notation for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The canonical SMILES for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CCC(=C)c2ccccc21.
What is the InChIKey of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The InChIKey is LYXLPRPNIHHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36/c1-24-15-18-33(35-13-7-6-12-32(24)35)25(2)19-29-11-8-14-34(29)31-22-28-17-16-27(21-30(28)23-31)20-26-9-4-3-5-10-26/h6-7,11-14,16-18,21,23,26H,1-5,8-10,15,19-20,22H2.
What are the key properties of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene has a molecular weight of 456.67 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene is sourced from PubChem (CID 58246120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).